Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Lithium Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL589 | 0.96 | TSHR (0.31) | — | |
| Lithium Ion SCHEMBL9293243 | 0.93 | — | — | |
| Lithium Ion SCHEMBL9293254 | 0.93 | — | — | |
| Lithium Ion SCHEMBL14812375 | 0.93 | — | — | |
| Lithium Ion SCHEMBL11332262 | 0.89 | TSHR (0.31) | — | |
| Lithium Ion SCHEMBL808460 | 0.89 | TSHR (0.31) | — | |
| Lithium Ion SCHEMBL11332267 | 0.89 | TSHR (0.31) | — | |
| SCHEMBL3898653 | 0.89 | TSHR (0.31) | — | |
| Potassium Ion SCHEMBL3889958 | 0.89 | TSHR (0.31) | — | |
| SCHEMBL107947 | 0.89 | ALDH1A1 (0.36) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009085015-A1 | FUNCTIONALISED GRAPHENE OXIDE | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2009-07-09 | — | — | WO | claimed |
| US-9156701-B2 | Functionalised graphene oxide | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2015-10-13 | — | — | US | disclosed |
| US-20110052813-A1 | FUNCTIONALISED GRAPHENE OXIDE | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2011-03-03 | — | — | US | disclosed |
| WO-2009085015-A1 | FUNCTIONALISED GRAPHENE OXIDE | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2009-07-09 | — | — | WO | disclosed |